N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C19H28N6O2 — CID 70772271

IUPACN-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C19H28N6O2/c1-23(16(26)15-12-20-18-21-14-22-25(18)17(15)27)13-19(8-4-2-5-9-19)24-10-6-3-7-11-24/h12,14H,2-11,13H2,1H3,(H,20,21,22)
InChIKeyQLOTWZLSRFDRRF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 70772271) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID70772271
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C19H28N6O2/c1-23(16(26)15-12-20-18-21-14-22-25(18)17(15)27)13-19(8-4-2-5-9-19)24-10-6-3-7-11-24/h12,14H,2-11,13H2,1H3,(H,20,21,22)
InChIKeyQLOTWZLSRFDRRF-UHFFFAOYSA-N
XLogP1.68
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56908642
2-Butyl-8-[(7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70710744
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
6-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70709312
6-{[3-(1-piperidinylmethyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746554
6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777431
6-{[(3R*,4S*)-3-amino-4-propylpyrrolidin-1-yl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 72838284
6-[(3R)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98323066
6-[(3S)-3-(piperidin-1-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98323067
6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365832
6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98365833
6-[(3S,4R)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 133133105

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 70772271) is N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QLOTWZLSRFDRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-23(16(26)15-12-20-18-21-14-22-25(18)17(15)27)13-19(8-4-2-5-9-19)24-10-6-3-7-11-24/h12,14H,2-11,13H2,1H3,(H,20,21,22).
What are the key properties of N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 70772271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).